1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine

C27H32FN3O — CID 151373274

IUPAC1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
SMILESCc1ccc(-c2noc(C=CC3CCC(C(c4cccc(F)c4)N(C)C)CC3)n2)cc1C
InChIInChI=1S/C27H32FN3O/c1-18-8-12-23(16-19(18)2)27-29-25(32-30-27)15-11-20-9-13-21(14-10-20)26(31(3)4)22-6-5-7-24(28)17-22/h5-8,11-12,15-17,20-21,26H,9-10,13-14H2,1-4H3
InChIKeyOQWYGOWZMLRMQV-UHFFFAOYSA-N
MW433.57 g/mol
LogP6.62
Rot. Bonds6

About 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine

1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 151373274) has the molecular formula C27H32FN3O and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID151373274
Molecular FormulaC27H32FN3O
Molecular Weight433.57 g/mol
Exact Mass433.25
IUPAC Name1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
SMILESCc1ccc(-c2noc(C=CC3CCC(C(c4cccc(F)c4)N(C)C)CC3)n2)cc1C
InChIInChI=1S/C27H32FN3O/c1-18-8-12-23(16-19(18)2)27-29-25(32-30-27)15-11-20-9-13-21(14-10-20)26(31(3)4)22-6-5-7-24(28)17-22/h5-8,11-12,15-17,20-21,26H,9-10,13-14H2,1-4H3
InChIKeyOQWYGOWZMLRMQV-UHFFFAOYSA-N
XLogP6.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[4-[(E)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-phenylmethanamine
CID 68962317
N,N-dimethyl-1-[4-[(E)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-thiophen-2-ylmethanamine
CID 23585160
1-[4-[2-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-N,N-dimethyl-1-phenylmethanamine
CID 68960032
N,N-dimethyl-3-phenyl-1-[4-[(E)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]cyclohexyl]propan-1-amine
CID 23585582
1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
CID 68964744
1-(3-fluorophenyl)-N,N-dimethyl-1-[4-[(3-methylphenyl)-(1,2,4-oxadiazol-5-yl)methyl]cyclohexyl]methanamine
CID 91182213
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
CID 24739897
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 140542996
1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
CID 68959928
[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl] 2-methyl-5-phenylfuran-3-carboxylate
CID 175260440
1-(3-fluorophenyl)-N,N-dimethyl-1-[4-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 68961115
1-cyclopropyl-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 63348646

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine (CID 151373274) is 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine is Cc1ccc(-c2noc(C=CC3CCC(C(c4cccc(F)c4)N(C)C)CC3)n2)cc1C.
What is the InChIKey of 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is OQWYGOWZMLRMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O/c1-18-8-12-23(16-19(18)2)27-29-25(32-30-27)15-11-20-9-13-21(14-10-20)26(31(3)4)22-6-5-7-24(28)17-22/h5-8,11-12,15-17,20-21,26H,9-10,13-14H2,1-4H3.
What are the key properties of 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 433.57 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]cyclohexyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 151373274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).